N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride

C14H18ClN3O2 — CID 119583320

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(=O)[nH]c2ccccc12.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-9(8-15)17(2)14(19)11-7-13(18)16-12-6-4-3-5-10(11)12;/h3-7,9H,8,15H2,1-2H3,(H,16,18);1H
InChIKeyUXGRUKOYACTEAJ-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.37
Rot. Bonds3

About N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119583320) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119583320
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(=O)[nH]c2ccccc12.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-9(8-15)17(2)14(19)11-7-13(18)16-12-6-4-3-5-10(11)12;/h3-7,9H,8,15H2,1-2H3,(H,16,18);1H
InChIKeyUXGRUKOYACTEAJ-UHFFFAOYSA-N
XLogP1.37
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 119582582
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119582950
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119654838
N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 97116272
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97122025
N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 104872786
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide
CID 97115532
N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 63887542
N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide
CID 95335368
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride (CID 119583320) is N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride is CC(CN)N(C)C(=O)c1cc(=O)[nH]c2ccccc12.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is UXGRUKOYACTEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-9(8-15)17(2)14(19)11-7-13(18)16-12-6-4-3-5-10(11)12;/h3-7,9H,8,15H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 119583320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).